5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine

C12H19ClN4 — CID 80799164

IUPAC5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(NC)ncc1Cl
InChIInChI=1S/C12H19ClN4/c1-3-6-17(8-9-4-5-9)11-10(13)7-15-12(14-2)16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyXHRRVCLAFINPPE-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.80
Rot. Bonds6

About 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80799164) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80799164
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(NC)ncc1Cl
InChIInChI=1S/C12H19ClN4/c1-3-6-17(8-9-4-5-9)11-10(13)7-15-12(14-2)16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyXHRRVCLAFINPPE-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine 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

4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325739
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
CID 80798941
4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80799404
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761
5-chloro-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80844922
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099
5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 80835241
5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80839936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine (CID 80799164) is 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine is CCCN(CC1CC1)c1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is XHRRVCLAFINPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-6-17(8-9-4-5-9)11-10(13)7-15-12(14-2)16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).