(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol

C20H25N7O — CID 134520116

IUPAC(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCCCNc1nc(N(C)C)nc2c(N[C@@H]3c4ccccc4C[C@H]3O)ncnc12
InChIInChI=1S/C20H25N7O/c1-4-9-21-18-16-17(25-20(26-18)27(2)3)19(23-11-22-16)24-15-13-8-6-5-7-12(13)10-14(15)28/h5-8,11,14-15,28H,4,9-10H2,1-3H3,(H,21,25,26)(H,22,23,24)/t14-,15-/m1/s1
InChIKeyQQQJLXAUIZKEEE-HUUCEWRRSA-N
MW379.47 g/mol
LogP2.38
Rot. Bonds6

About (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol

(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 134520116) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID134520116
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCCCNc1nc(N(C)C)nc2c(N[C@@H]3c4ccccc4C[C@H]3O)ncnc12
InChIInChI=1S/C20H25N7O/c1-4-9-21-18-16-17(25-20(26-18)27(2)3)19(23-11-22-16)24-15-13-8-6-5-7-12(13)10-14(15)28/h5-8,11,14-15,28H,4,9-10H2,1-3H3,(H,21,25,26)(H,22,23,24)/t14-,15-/m1/s1
InChIKeyQQQJLXAUIZKEEE-HUUCEWRRSA-N
XLogP2.38
TPSA99.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

1-[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]pyrrolidin-3-ol
CID 134520190
2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
CID 134520372
2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520388
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
CID 70232922
(1R,2S)-1-[(9-butylpurin-6-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102438627
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
(2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 59083146
(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 167801808
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 134520116) is (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol is CCCNc1nc(N(C)C)nc2c(N[C@@H]3c4ccccc4C[C@H]3O)ncnc12.
What is the InChIKey of (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is QQQJLXAUIZKEEE-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H25N7O/c1-4-9-21-18-16-17(25-20(26-18)27(2)3)19(23-11-22-16)24-15-13-8-6-5-7-12(13)10-14(15)28/h5-8,11,14-15,28H,4,9-10H2,1-3H3,(H,21,25,26)(H,22,23,24)/t14-,15-/m1/s1.
What are the key properties of (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 379.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 134520116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).