(6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C15H26N4O — CID 59387812

IUPAC(6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(CC3CC3)C2)N=C1N
InChIInChI=1S/C15H26N4O/c1-15(8-13(20)18(2)14(16)17-15)12-4-3-7-19(10-12)9-11-5-6-11/h11-12H,3-10H2,1-2H3,(H2,16,17)/t12?,15-/m0/s1
InChIKeyLETFXCAOVUDHQP-CVRLYYSRSA-N
MW278.40 g/mol
LogP1.04
Rot. Bonds3

About (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387812) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387812
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(CC3CC3)C2)N=C1N
InChIInChI=1S/C15H26N4O/c1-15(8-13(20)18(2)14(16)17-15)12-4-3-7-19(10-12)9-11-5-6-11/h11-12H,3-10H2,1-2H3,(H2,16,17)/t12?,15-/m0/s1
InChIKeyLETFXCAOVUDHQP-CVRLYYSRSA-N
XLogP1.04
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387812) is (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(CC3CC3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is LETFXCAOVUDHQP-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(8-13(20)18(2)14(16)17-15)12-4-3-7-19(10-12)9-11-5-6-11/h11-12H,3-10H2,1-2H3,(H2,16,17)/t12?,15-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 278.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[1-(cyclopropylmethyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).