(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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Related Compounds

N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
CID 126813706
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 133453180
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649
N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308

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).