[(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C15H25N5O — CID 72890329

IUPAC[(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESNc1nccc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)n1
InChIInChI=1S/C15H25N5O/c16-15-17-5-4-14(18-15)20-9-12(13(10-20)11-21)8-19-6-2-1-3-7-19/h4-5,12-13,21H,1-3,6-11H2,(H2,16,17,18)/t12-,13-/m1/s1
InChIKeyIUHNWPUFMAQPFB-CHWSQXEVSA-N
MW291.40 g/mol
LogP0.59
Rot. Bonds4

About [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72890329) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72890329
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESNc1nccc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)n1
InChIInChI=1S/C15H25N5O/c16-15-17-5-4-14(18-15)20-9-12(13(10-20)11-21)8-19-6-2-1-3-7-19/h4-5,12-13,21H,1-3,6-11H2,(H2,16,17,18)/t12-,13-/m1/s1
InChIKeyIUHNWPUFMAQPFB-CHWSQXEVSA-N
XLogP0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 72890329) is [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is Nc1nccc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)n1.
What is the InChIKey of [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is IUHNWPUFMAQPFB-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25N5O/c16-15-17-5-4-14(18-15)20-9-12(13(10-20)11-21)8-19-6-2-1-3-7-19/h4-5,12-13,21H,1-3,6-11H2,(H2,16,17,18)/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 291.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72890329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).