6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

C14H25N5 — CID 67157079

IUPAC6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESCC(C)(C)CCNc1cc(NC2CCNC2)ncn1
InChIInChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyZELKFGCESYLZNT-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.10
Rot. Bonds5

About 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (PubChem CID 67157079) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
PubChem CID67157079
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESCC(C)(C)CCNc1cc(NC2CCNC2)ncn1
InChIInChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyZELKFGCESYLZNT-UHFFFAOYSA-N
XLogP2.10
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (CID 67157079) is 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is CC(C)(C)CCNc1cc(NC2CCNC2)ncn1.
What is the InChIKey of 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The InChIKey is ZELKFGCESYLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 67157079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).