4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine

C15H26N4 — CID 80799404

IUPAC4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(CCC)CC2CC2)n1
InChIInChI=1S/C15H26N4/c1-4-8-16-15-17-10-12(3)14(18-15)19(9-5-2)11-13-6-7-13/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyZDBDFIJFCMPDMW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds8

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

4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 80799404) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID80799404
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(CCC)CC2CC2)n1
InChIInChI=1S/C15H26N4/c1-4-8-16-15-17-10-12(3)14(18-15)19(9-5-2)11-13-6-7-13/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyZDBDFIJFCMPDMW-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
CID 80798941
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
5-chloro-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80844922
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine (CID 80799404) is 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(N(CCC)CC2CC2)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is ZDBDFIJFCMPDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-8-16-15-17-10-12(3)14(18-15)19(9-5-2)11-13-6-7-13/h10,13H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).