4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine

C15H24N6 — CID 82873155

IUPAC4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccn(C)n2)c1CCC
InChIInChI=1S/C15H24N6/c1-4-6-13-14(16-8-5-2)18-11-19-15(13)17-10-12-7-9-21(3)20-12/h7,9,11H,4-6,8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyPPHHYQSPNIEKAJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.60
Rot. Bonds8

About 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 82873155) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID82873155
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccn(C)n2)c1CCC
InChIInChI=1S/C15H24N6/c1-4-6-13-14(16-8-5-2)18-11-19-15(13)17-10-12-7-9-21(3)20-12/h7,9,11H,4-6,8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyPPHHYQSPNIEKAJ-UHFFFAOYSA-N
XLogP2.60
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 82873974
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
6-hydrazinyl-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874497
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903
4-N-[(1-methylpyrazol-3-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 82875706
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809334
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 106378655

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine (CID 82873155) is 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2ccn(C)n2)c1CCC.
What is the InChIKey of 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is PPHHYQSPNIEKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-6-13-14(16-8-5-2)18-11-19-15(13)17-10-12-7-9-21(3)20-12/h7,9,11H,4-6,8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 82873155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).