2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride

C14H22ClN7O — CID 134520388

IUPAC2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
SMILESCN(C)c1nc(NCC2CC2)c2ncnc(NCCO)c2n1.Cl
InChIInChI=1S/C14H21N7O.ClH/c1-21(2)14-19-11-10(13(20-14)16-7-9-3-4-9)17-8-18-12(11)15-5-6-22;/h8-9,22H,3-7H2,1-2H3,(H,15,17,18)(H,16,19,20);1H
InChIKeyVRPSMCOWXVSMBA-UHFFFAOYSA-N
MW339.83 g/mol
LogP1.13
Rot. Bonds7

About 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride

2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride (PubChem CID 134520388) has the molecular formula C14H22ClN7O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
PubChem CID134520388
Molecular FormulaC14H22ClN7O
Molecular Weight339.83 g/mol
Exact Mass339.16
IUPAC Name2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
SMILESCN(C)c1nc(NCC2CC2)c2ncnc(NCCO)c2n1.Cl
InChIInChI=1S/C14H21N7O.ClH/c1-21(2)14-19-11-10(13(20-14)16-7-9-3-4-9)17-8-18-12(11)15-5-6-22;/h8-9,22H,3-7H2,1-2H3,(H,15,17,18)(H,16,19,20);1H
InChIKeyVRPSMCOWXVSMBA-UHFFFAOYSA-N
XLogP1.13
TPSA99.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride with MolForge

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Related Compounds

2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
CID 134520372
(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 134520116
1-[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]pyrrolidin-3-ol
CID 134520190
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
CID 70232922
N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166634634
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride (CID 134520388) is 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride is CN(C)c1nc(NCC2CC2)c2ncnc(NCCO)c2n1.Cl.
What is the InChIKey of 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?
The InChIKey is VRPSMCOWXVSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O.ClH/c1-21(2)14-19-11-10(13(20-14)16-7-9-3-4-9)17-8-18-12(11)15-5-6-22;/h8-9,22H,3-7H2,1-2H3,(H,15,17,18)(H,16,19,20);1H.
What are the key properties of 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?
2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 134520388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).