1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea

C19H32N6O2 — CID 137027869

IUPAC1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea
SMILESCc1cc(=O)[nH]c(NCCNC(=O)NC2(CN3CCCC3)CCCCC2)n1
InChIInChI=1S/C19H32N6O2/c1-15-13-16(26)23-17(22-15)20-9-10-21-18(27)24-19(7-3-2-4-8-19)14-25-11-5-6-12-25/h13H,2-12,14H2,1H3,(H2,21,24,27)(H2,20,22,23,26)
InChIKeyQWVDQNKXZIHXCH-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.59
Rot. Bonds7

About 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea

1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea (PubChem CID 137027869) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea
PubChem CID137027869
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea
SMILESCc1cc(=O)[nH]c(NCCNC(=O)NC2(CN3CCCC3)CCCCC2)n1
InChIInChI=1S/C19H32N6O2/c1-15-13-16(26)23-17(22-15)20-9-10-21-18(27)24-19(7-3-2-4-8-19)14-25-11-5-6-12-25/h13H,2-12,14H2,1H3,(H2,21,24,27)(H2,20,22,23,26)
InChIKeyQWVDQNKXZIHXCH-UHFFFAOYSA-N
XLogP1.59
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea (CID 137027869) is 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea is Cc1cc(=O)[nH]c(NCCNC(=O)NC2(CN3CCCC3)CCCCC2)n1.
What is the InChIKey of 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea?
The InChIKey is QWVDQNKXZIHXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-15-13-16(26)23-17(22-15)20-9-10-21-18(27)24-19(7-3-2-4-8-19)14-25-11-5-6-12-25/h13H,2-12,14H2,1H3,(H2,21,24,27)(H2,20,22,23,26).
What are the key properties of 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea?
1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea has a molecular weight of 376.51 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]urea is sourced from PubChem (CID 137027869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).