(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol

C15H24N4O — CID 97245444

IUPAC(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESC[C@@H](O)C1CCN(c2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C15H24N4O/c1-11(20)13-4-6-19(7-5-13)15-8-14(17-10-18-15)16-9-12-2-3-12/h8,10-13,20H,2-7,9H2,1H3,(H,16,17,18)/t11-/m1/s1
InChIKeyALQINGSMIVYZMD-LLVKDONJSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds5

About (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol

(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 97245444) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
PubChem CID97245444
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESC[C@@H](O)C1CCN(c2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C15H24N4O/c1-11(20)13-4-6-19(7-5-13)15-8-14(17-10-18-15)16-9-12-2-3-12/h8,10-13,20H,2-7,9H2,1H3,(H,16,17,18)/t11-/m1/s1
InChIKeyALQINGSMIVYZMD-LLVKDONJSA-N
XLogP1.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol (CID 97245444) is (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol is C[C@@H](O)C1CCN(c2cc(NCC3CC3)ncn2)CC1.
What is the InChIKey of (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is ALQINGSMIVYZMD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(20)13-4-6-19(7-5-13)15-8-14(17-10-18-15)16-9-12-2-3-12/h8,10-13,20H,2-7,9H2,1H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol?
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 276.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 97245444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).