1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride

C13H23ClN8O — CID 134520314

IUPAC1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
SMILESCCNc1nc(NCC(C)O)nc2c(NCC)nc(N)nc12.Cl
InChIInChI=1S/C13H22N8O.ClH/c1-4-15-10-9-8(18-12(14)20-10)11(16-5-2)21-13(19-9)17-6-7(3)22;/h7,22H,4-6H2,1-3H3,(H3,14,15,18,20)(H2,16,17,19,21);1H
InChIKeyMVRYLTRRGOPQSR-UHFFFAOYSA-N
MW342.84 g/mol
LogP1.08
Rot. Bonds7

About 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride

1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride (PubChem CID 134520314) has the molecular formula C13H23ClN8O and a molecular weight of 342.84 g/mol. Its IUPAC name is 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
PubChem CID134520314
Molecular FormulaC13H23ClN8O
Molecular Weight342.84 g/mol
Exact Mass342.17
IUPAC Name1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
SMILESCCNc1nc(NCC(C)O)nc2c(NCC)nc(N)nc12.Cl
InChIInChI=1S/C13H22N8O.ClH/c1-4-15-10-9-8(18-12(14)20-10)11(16-5-2)21-13(19-9)17-6-7(3)22;/h7,22H,4-6H2,1-3H3,(H3,14,15,18,20)(H2,16,17,19,21);1H
InChIKeyMVRYLTRRGOPQSR-UHFFFAOYSA-N
XLogP1.08
TPSA133.90 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride with MolForge

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Related Compounds

(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520316
1-[[4,8-bis(ethylamino)-2-(2-methylprop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol;hydrochloride
CID 134520291
(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-[[4,8-bis(methylamino)-6-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520414
1-[[2-(2-hydroxypropylamino)-4,8-bis[(4-methoxyphenyl)methylamino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 11353339
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol
CID 154786993
(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 161444337
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
2-N,4-N-diethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 53431514
1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055

Frequently Asked Questions

What is the IUPAC name of 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride (CID 134520314) is 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride is CCNc1nc(NCC(C)O)nc2c(NCC)nc(N)nc12.Cl.
What is the InChIKey of 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
The InChIKey is MVRYLTRRGOPQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8O.ClH/c1-4-15-10-9-8(18-12(14)20-10)11(16-5-2)21-13(19-9)17-6-7(3)22;/h7,22H,4-6H2,1-3H3,(H3,14,15,18,20)(H2,16,17,19,21);1H.
What are the key properties of 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 1.08, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 134520314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).