6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

C18H29N7 — CID 91789045

IUPAC6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCc1nn(C(C)C)c(C)c1CN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C18H29N7/c1-10(2)25-12(4)15(11(3)23-25)9-24(5)17-8-16(21-18(20)22-17)13-6-14(19)7-13/h8,10,13-14H,6-7,9,19H2,1-5H3,(H2,20,21,22)
InChIKeyONSMWEQAAZKJKD-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.29
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91789045) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID91789045
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCc1nn(C(C)C)c(C)c1CN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C18H29N7/c1-10(2)25-12(4)15(11(3)23-25)9-24(5)17-8-16(21-18(20)22-17)13-6-14(19)7-13/h8,10,13-14H,6-7,9,19H2,1-5H3,(H2,20,21,22)
InChIKeyONSMWEQAAZKJKD-UHFFFAOYSA-N
XLogP2.29
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 91789045) is 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is Cc1nn(C(C)C)c(C)c1CN(C)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ONSMWEQAAZKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-10(2)25-12(4)15(11(3)23-25)9-24(5)17-8-16(21-18(20)22-17)13-6-14(19)7-13/h8,10,13-14H,6-7,9,19H2,1-5H3,(H2,20,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 343.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91789045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).