N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide

C14H21N5O — CID 3619865

IUPACN-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(=N\C1CCCC1)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H21N5O/c1-9-8-10(2)16-13(15-9)19-14(17-11(3)20)18-12-6-4-5-7-12/h8,12H,4-7H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyMQKDTLGLALRBPA-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.94
Rot. Bonds2

About N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide

N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (PubChem CID 3619865) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
PubChem CID3619865
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(=N\C1CCCC1)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H21N5O/c1-9-8-10(2)16-13(15-9)19-14(17-11(3)20)18-12-6-4-5-7-12/h8,12H,4-7H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyMQKDTLGLALRBPA-UHFFFAOYSA-N
XLogP1.94
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (CID 3619865) is N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is CC(=O)N/C(=N\C1CCCC1)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The InChIKey is MQKDTLGLALRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-8-10(2)16-13(15-9)19-14(17-11(3)20)18-12-6-4-5-7-12/h8,12H,4-7H2,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide has a molecular weight of 275.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 3619865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).