(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol

C18H28N6O — CID 175907188

IUPAC(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
SMILESCC(C)Nc1nc([C@@H](C)O)cc2cnc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C18H28N6O/c1-10(2)21-17-16-12(8-15(23-17)11(3)25)9-20-18(24-16)22-14-6-4-13(19)5-7-14/h8-11,13-14,25H,4-7,19H2,1-3H3,(H,21,23)(H,20,22,24)/t11-,13?,14?/m1/s1
InChIKeyWPAXYXGJMRZNGN-LMWSTFAQSA-N
MW344.46 g/mol
LogP2.58
Rot. Bonds5

About (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol

(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol (PubChem CID 175907188) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
PubChem CID175907188
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
SMILESCC(C)Nc1nc([C@@H](C)O)cc2cnc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C18H28N6O/c1-10(2)21-17-16-12(8-15(23-17)11(3)25)9-20-18(24-16)22-14-6-4-13(19)5-7-14/h8-11,13-14,25H,4-7,19H2,1-3H3,(H,21,23)(H,20,22,24)/t11-,13?,14?/m1/s1
InChIKeyWPAXYXGJMRZNGN-LMWSTFAQSA-N
XLogP2.58
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
The IUPAC name of (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol (CID 175907188) is (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol is CC(C)Nc1nc([C@@H](C)O)cc2cnc(NC3CCC(N)CC3)nc12.
What is the InChIKey of (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
The InChIKey is WPAXYXGJMRZNGN-LMWSTFAQSA-N. The full InChI is InChI=1S/C18H28N6O/c1-10(2)21-17-16-12(8-15(23-17)11(3)25)9-20-18(24-16)22-14-6-4-13(19)5-7-14/h8-11,13-14,25H,4-7,19H2,1-3H3,(H,21,23)(H,20,22,24)/t11-,13?,14?/m1/s1.
What are the key properties of (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 175907188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).