6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine

C15H22N6 — CID 72866942

IUPAC6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCC2(Cn3cccn3)CC2)nc(N)n1
InChIInChI=1S/C15H22N6/c1-11(2)12-8-13(20-14(16)19-12)17-9-15(4-5-15)10-21-7-3-6-18-21/h3,6-8,11H,4-5,9-10H2,1-2H3,(H3,16,17,19,20)
InChIKeyOMVLRNONSJPRLO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.27
Rot. Bonds6

About 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine

6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine (PubChem CID 72866942) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
PubChem CID72866942
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCC2(Cn3cccn3)CC2)nc(N)n1
InChIInChI=1S/C15H22N6/c1-11(2)12-8-13(20-14(16)19-12)17-9-15(4-5-15)10-21-7-3-6-18-21/h3,6-8,11H,4-5,9-10H2,1-2H3,(H3,16,17,19,20)
InChIKeyOMVLRNONSJPRLO-UHFFFAOYSA-N
XLogP2.27
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine (CID 72866942) is 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine is CC(C)c1cc(NCC2(Cn3cccn3)CC2)nc(N)n1.
What is the InChIKey of 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is OMVLRNONSJPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11(2)12-8-13(20-14(16)19-12)17-9-15(4-5-15)10-21-7-3-6-18-21/h3,6-8,11H,4-5,9-10H2,1-2H3,(H3,16,17,19,20).
What are the key properties of 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72866942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).