(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C18H24N4O — CID 124813528

IUPAC(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESC[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C18H24N4O/c1-13-10-16(13)17-6-5-15(23-17)11-21-14-4-2-9-22(12-14)18-19-7-3-8-20-18/h3,5-8,13-14,16,21H,2,4,9-12H2,1H3/t13-,14+,16-/m1/s1
InChIKeyPJQUDZOAWPQUOM-IJEWVQPXSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds5

About (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine

(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 124813528) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID124813528
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESC[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C18H24N4O/c1-13-10-16(13)17-6-5-15(23-17)11-21-14-4-2-9-22(12-14)18-19-7-3-8-20-18/h3,5-8,13-14,16,21H,2,4,9-12H2,1H3/t13-,14+,16-/m1/s1
InChIKeyPJQUDZOAWPQUOM-IJEWVQPXSA-N
XLogP2.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine with MolForge

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Related Compounds

(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 95575885
1-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-amine
CID 60691616
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
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
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]cyclohexan-1-ol
CID 62365432
N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 124813528) is (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine is C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1.
What is the InChIKey of (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is PJQUDZOAWPQUOM-IJEWVQPXSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-10-16(13)17-6-5-15(23-17)11-21-14-4-2-9-22(12-14)18-19-7-3-8-20-18/h3,5-8,13-14,16,21H,2,4,9-12H2,1H3/t13-,14+,16-/m1/s1.
What are the key properties of (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 312.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 124813528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).