(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C14H17ClN4O — CID 93318901

IUPAC(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESClc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C14H17ClN4O/c15-13-5-4-12(20-13)9-18-11-3-1-8-19(10-11)14-16-6-2-7-17-14/h2,4-7,11,18H,1,3,8-10H2/t11-/m1/s1
InChIKeyCXMAOOWECLRZEV-LLVKDONJSA-N
MW292.77 g/mol
LogP2.48
Rot. Bonds4

About (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 93318901) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID93318901
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESClc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C14H17ClN4O/c15-13-5-4-12(20-13)9-18-11-3-1-8-19(10-11)14-16-6-2-7-17-14/h2,4-7,11,18H,1,3,8-10H2/t11-/m1/s1
InChIKeyCXMAOOWECLRZEV-LLVKDONJSA-N
XLogP2.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 95575885
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124813528
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 52511209
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 25459202
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 93318901) is (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Clc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1.
What is the InChIKey of (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is CXMAOOWECLRZEV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-13-5-4-12(20-13)9-18-11-3-1-8-19(10-11)14-16-6-2-7-17-14/h2,4-7,11,18H,1,3,8-10H2/t11-/m1/s1.
What are the key properties of (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 292.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 93318901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).