(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol

C19H25N5O — CID 95894050

IUPAC(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol
SMILESO[C@@H](c1ccccn1)C1CCN(c2ncnc3c2CCNCC3)CC1
InChIInChI=1S/C19H25N5O/c25-18(17-3-1-2-8-21-17)14-6-11-24(12-7-14)19-15-4-9-20-10-5-16(15)22-13-23-19/h1-3,8,13-14,18,20,25H,4-7,9-12H2/t18-/m1/s1
InChIKeyGLQSJNRILOFXFC-GOSISDBHSA-N
MW339.44 g/mol
LogP1.51
Rot. Bonds3

About (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol

(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol (PubChem CID 95894050) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol
PubChem CID95894050
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol
SMILESO[C@@H](c1ccccn1)C1CCN(c2ncnc3c2CCNCC3)CC1
InChIInChI=1S/C19H25N5O/c25-18(17-3-1-2-8-21-17)14-6-11-24(12-7-14)19-15-4-9-20-10-5-16(15)22-13-23-19/h1-3,8,13-14,18,20,25H,4-7,9-12H2/t18-/m1/s1
InChIKeyGLQSJNRILOFXFC-GOSISDBHSA-N
XLogP1.51
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol (CID 95894050) is (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol is O[C@@H](c1ccccn1)C1CCN(c2ncnc3c2CCNCC3)CC1.
What is the InChIKey of (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol?
The InChIKey is GLQSJNRILOFXFC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N5O/c25-18(17-3-1-2-8-21-17)14-6-11-24(12-7-14)19-15-4-9-20-10-5-16(15)22-13-23-19/h1-3,8,13-14,18,20,25H,4-7,9-12H2/t18-/m1/s1.
What are the key properties of (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol?
(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol has a molecular weight of 339.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 95894050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).