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

C16H23N7 — CID 91761830

IUPAC6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1cc(C2CC2)n[nH]1)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C16H23N7/c1-23(8-12-6-14(22-21-12)9-2-3-9)15-7-13(19-16(18)20-15)10-4-11(17)5-10/h6-7,9-11H,2-5,8,17H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyWHUWSHBIHLHLKE-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.50
Rot. Bonds5

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

6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91761830) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID91761830
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1cc(C2CC2)n[nH]1)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C16H23N7/c1-23(8-12-6-14(22-21-12)9-2-3-9)15-7-13(19-16(18)20-15)10-4-11(17)5-10/h6-7,9-11H,2-5,8,17H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyWHUWSHBIHLHLKE-UHFFFAOYSA-N
XLogP1.50
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.50
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-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 91761830) is 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is CN(Cc1cc(C2CC2)n[nH]1)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is WHUWSHBIHLHLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-23(8-12-6-14(22-21-12)9-2-3-9)15-7-13(19-16(18)20-15)10-4-11(17)5-10/h6-7,9-11H,2-5,8,17H2,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 1.50, 5 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-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91761830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).