(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol

C16H25N7O — CID 161444337

IUPAC(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
SMILESCCc1nc(NC[C@H](C)O)nc2c(NC)nc(NCC3CC3)nc12
InChIInChI=1S/C16H25N7O/c1-4-11-12-13(22-15(20-11)18-7-9(2)24)14(17-3)23-16(21-12)19-8-10-5-6-10/h9-10,24H,4-8H2,1-3H3,(H,18,20,22)(H2,17,19,21,23)/t9-/m0/s1
InChIKeyVZRRXSXGJAIJSV-VIFPVBQESA-N
MW331.42 g/mol
LogP1.64
Rot. Bonds8

About (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol

(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol (PubChem CID 161444337) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
PubChem CID161444337
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
SMILESCCc1nc(NC[C@H](C)O)nc2c(NC)nc(NCC3CC3)nc12
InChIInChI=1S/C16H25N7O/c1-4-11-12-13(22-15(20-11)18-7-9(2)24)14(17-3)23-16(21-12)19-8-10-5-6-10/h9-10,24H,4-8H2,1-3H3,(H,18,20,22)(H2,17,19,21,23)/t9-/m0/s1
InChIKeyVZRRXSXGJAIJSV-VIFPVBQESA-N
XLogP1.64
TPSA107.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-[[6-(cyclopropylmethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]butan-2-ol;hydrochloride
CID 134520549
1-[[4,8-bis(methylamino)-6-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520414
1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 158932033
(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520316
(2S)-1-[[4,8-bis(ethylamino)-2-(2-methylprop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 134520352
1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520314
3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
1-[[4,8-bis(ethylamino)-2-(2-methylprop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol;hydrochloride
CID 134520291
N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
1-[[2-(2-hydroxypropylamino)-4,8-bis[(4-methoxyphenyl)methylamino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 11353339
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol (CID 161444337) is (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol is CCc1nc(NC[C@H](C)O)nc2c(NC)nc(NCC3CC3)nc12.
What is the InChIKey of (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol?
The InChIKey is VZRRXSXGJAIJSV-VIFPVBQESA-N. The full InChI is InChI=1S/C16H25N7O/c1-4-11-12-13(22-15(20-11)18-7-9(2)24)14(17-3)23-16(21-12)19-8-10-5-6-10/h9-10,24H,4-8H2,1-3H3,(H,18,20,22)(H2,17,19,21,23)/t9-/m0/s1.
What are the key properties of (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol?
(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol has a molecular weight of 331.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol is sourced from PubChem (CID 161444337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).