(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide

C16H24N6O2 — CID 95724941

IUPAC(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C16H24N6O2/c1-9-12(10(2)20-16(17)19-9)7-14(23)22-6-5-18-8-13(22)15(24)21-11-3-4-11/h11,13,18H,3-8H2,1-2H3,(H,21,24)(H2,17,19,20)/t13-/m1/s1
InChIKeyJLVFBEIMMAKHJN-CYBMUJFWSA-N
MW332.41 g/mol
LogP-0.70
Rot. Bonds4

About (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide

(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide (PubChem CID 95724941) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide
PubChem CID95724941
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C16H24N6O2/c1-9-12(10(2)20-16(17)19-9)7-14(23)22-6-5-18-8-13(22)15(24)21-11-3-4-11/h11,13,18H,3-8H2,1-2H3,(H,21,24)(H2,17,19,20)/t13-/m1/s1
InChIKeyJLVFBEIMMAKHJN-CYBMUJFWSA-N
XLogP-0.70
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide (CID 95724941) is (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide is Cc1nc(N)nc(C)c1CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1.
What is the InChIKey of (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide?
The InChIKey is JLVFBEIMMAKHJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-9-12(10(2)20-16(17)19-9)7-14(23)22-6-5-18-8-13(22)15(24)21-11-3-4-11/h11,13,18H,3-8H2,1-2H3,(H,21,24)(H2,17,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide?
(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide is sourced from PubChem (CID 95724941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).