6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine

C17H27N7 — CID 91781538

IUPAC6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCc1n[nH]c(C)c1CCCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C17H27N7/c1-10-14(11(2)23-22-10)5-4-6-24(3)16-9-15(20-17(19)21-16)12-7-13(18)8-12/h9,12-13H,4-8,18H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeyXROCOYWMNNICKE-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.67
Rot. Bonds6

About 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91781538) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID91781538
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCc1n[nH]c(C)c1CCCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C17H27N7/c1-10-14(11(2)23-22-10)5-4-6-24(3)16-9-15(20-17(19)21-16)12-7-13(18)8-12/h9,12-13H,4-8,18H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeyXROCOYWMNNICKE-UHFFFAOYSA-N
XLogP1.67
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine (CID 91781538) is 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine is Cc1n[nH]c(C)c1CCCN(C)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is XROCOYWMNNICKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-10-14(11(2)23-22-10)5-4-6-24(3)16-9-15(20-17(19)21-16)12-7-13(18)8-12/h9,12-13H,4-8,18H2,1-3H3,(H,22,23)(H2,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 329.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91781538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).