2-[(6-methylpyrimidin-4-yl)amino]ethylurea

C8H13N5O — CID 79033984

IUPAC2-[(6-methylpyrimidin-4-yl)amino]ethylurea
SMILESCc1cc(NCCNC(N)=O)ncn1
InChIInChI=1S/C8H13N5O/c1-6-4-7(13-5-12-6)10-2-3-11-8(9)14/h4-5H,2-3H2,1H3,(H3,9,11,14)(H,10,12,13)
InChIKeyDVJLOCAHLFUZHF-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(6-methylpyrimidin-4-yl)amino]ethylurea

2-[(6-methylpyrimidin-4-yl)amino]ethylurea (PubChem CID 79033984) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(6-methylpyrimidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(6-methylpyrimidin-4-yl)amino]ethylurea
PubChem CID79033984
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(6-methylpyrimidin-4-yl)amino]ethylurea
SMILESCc1cc(NCCNC(N)=O)ncn1
InChIInChI=1S/C8H13N5O/c1-6-4-7(13-5-12-6)10-2-3-11-8(9)14/h4-5H,2-3H2,1H3,(H3,9,11,14)(H,10,12,13)
InChIKeyDVJLOCAHLFUZHF-UHFFFAOYSA-N
XLogP-0.13
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
6-Methylpyrimidin-4-amine
CID 572852
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
4-(3-Aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
CID 155533291
4-[3-(Ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 155533940
6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 46225978
4-Methyl-2-pyrimidinemethanamine
CID 18727763
2-N-[2-(dimethylamino)ethyl]-4-N-hexyl-6-methylpyrimidine-2,4-diamine
CID 137635183
4-N-[2-(dimethylamino)ethyl]-2-N-hexyl-6-methylpyrimidine-2,4-diamine
CID 137637881
2-chloro-6-methyl-N-propylpyrimidin-4-amine
CID 11137831
2-Amino-4-n-butylamino-6-methylpyrimidine
CID 57279993

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea (CID 79033984) is 2-[(6-methylpyrimidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(6-methylpyrimidin-4-yl)amino]ethylurea is Cc1cc(NCCNC(N)=O)ncn1.
What is the InChIKey of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
The InChIKey is DVJLOCAHLFUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6-4-7(13-5-12-6)10-2-3-11-8(9)14/h4-5H,2-3H2,1H3,(H3,9,11,14)(H,10,12,13).
What are the key properties of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
2-[(6-methylpyrimidin-4-yl)amino]ethylurea has a molecular weight of 195.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyrimidin-4-yl)amino]ethylurea is sourced from PubChem (CID 79033984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).