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

C14H23N7O — CID 158932033

IUPAC1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
SMILESCCc1nc(NCC(C)(C)O)nc2c(NC)nc(NC)nc12
InChIInChI=1S/C14H23N7O/c1-6-8-9-10(11(15-4)21-12(16-5)19-9)20-13(18-8)17-7-14(2,3)22/h22H,6-7H2,1-5H3,(H,17,18,20)(H2,15,16,19,21)
InChIKeyJJELPBDFKWKFBS-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.25
Rot. Bonds6

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

1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol (PubChem CID 158932033) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
PubChem CID158932033
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
SMILESCCc1nc(NCC(C)(C)O)nc2c(NC)nc(NC)nc12
InChIInChI=1S/C14H23N7O/c1-6-8-9-10(11(15-4)21-12(16-5)19-9)20-13(18-8)17-7-14(2,3)22/h22H,6-7H2,1-5H3,(H,17,18,20)(H2,15,16,19,21)
InChIKeyJJELPBDFKWKFBS-UHFFFAOYSA-N
XLogP1.25
TPSA107.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520334
1-[[2-[[(2S)-butan-2-yl]amino]-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 134520204
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 161444337
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
CID 148836551
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
CID 134520338
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 118864845
4-[4-(2,2-difluoroethylamino)-2,6-bis(ethylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylbutan-2-ol
CID 149255538

Frequently Asked Questions

What is the IUPAC name of 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol (CID 158932033) is 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol is CCc1nc(NCC(C)(C)O)nc2c(NC)nc(NC)nc12.
What is the InChIKey of 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol?
The InChIKey is JJELPBDFKWKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-6-8-9-10(11(15-4)21-12(16-5)19-9)20-13(18-8)17-7-14(2,3)22/h22H,6-7H2,1-5H3,(H,17,18,20)(H2,15,16,19,21).
What are the key properties of 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol?
1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol has a molecular weight of 305.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 158932033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).