4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine

C14H28N6 — CID 150885829

IUPAC4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine
SMILESCC(C)(C)CCC1(N)C=C(NC2CCNC2)NC(N)=N1
InChIInChI=1S/C14H28N6/c1-13(2,3)5-6-14(16)8-11(19-12(15)20-14)18-10-4-7-17-9-10/h8,10,17-18H,4-7,9,16H2,1-3H3,(H3,15,19,20)
InChIKeyKWYUSAXLJMYEEN-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.18
Rot. Bonds4

About 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine

4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine (PubChem CID 150885829) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine
PubChem CID150885829
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine
SMILESCC(C)(C)CCC1(N)C=C(NC2CCNC2)NC(N)=N1
InChIInChI=1S/C14H28N6/c1-13(2,3)5-6-14(16)8-11(19-12(15)20-14)18-10-4-7-17-9-10/h8,10,17-18H,4-7,9,16H2,1-3H3,(H3,15,19,20)
InChIKeyKWYUSAXLJMYEEN-UHFFFAOYSA-N
XLogP0.18
TPSA100.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine (CID 150885829) is 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine is CC(C)(C)CCC1(N)C=C(NC2CCNC2)NC(N)=N1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine?
The InChIKey is KWYUSAXLJMYEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-13(2,3)5-6-14(16)8-11(19-12(15)20-14)18-10-4-7-17-9-10/h8,10,17-18H,4-7,9,16H2,1-3H3,(H3,15,19,20).
What are the key properties of 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine?
4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine has a molecular weight of 280.42 g/mol, XLogP of 0.18, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 150885829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).