1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea

C14H21N5O — CID 120655377

IUPAC1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
SMILESCN(C)C(=O)Nc1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C14H21N5O/c1-19(2)14(20)18-12-6-4-11(5-7-12)10-17-13-15-8-3-9-16-13/h4-7H,3,8-10H2,1-2H3,(H,18,20)(H2,15,16,17)
InChIKeyIPSQUJZZZBZCQV-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.22
Rot. Bonds3

About 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea

1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea (PubChem CID 120655377) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
PubChem CID120655377
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
SMILESCN(C)C(=O)Nc1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C14H21N5O/c1-19(2)14(20)18-12-6-4-11(5-7-12)10-17-13-15-8-3-9-16-13/h4-7H,3,8-10H2,1-2H3,(H,18,20)(H2,15,16,17)
InChIKeyIPSQUJZZZBZCQV-UHFFFAOYSA-N
XLogP1.22
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide
CID 110917546
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112763
methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
CID 110918662
N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide
CID 131224552
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 110914080

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea (CID 120655377) is 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea is CN(C)C(=O)Nc1ccc(CNC2=NCCCN2)cc1.
What is the InChIKey of 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea?
The InChIKey is IPSQUJZZZBZCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-19(2)14(20)18-12-6-4-11(5-7-12)10-17-13-15-8-3-9-16-13/h4-7H,3,8-10H2,1-2H3,(H,18,20)(H2,15,16,17).
What are the key properties of 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea?
1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea has a molecular weight of 275.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea is sourced from PubChem (CID 120655377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).