N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine

C15H26N4O — CID 91645774

IUPACN,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC(C)CCOC1CCN(c2nccc(N(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-12(2)7-10-20-13-6-9-19(11-13)15-16-8-5-14(17-15)18(3)4/h5,8,12-13H,6-7,9-11H2,1-4H3
InChIKeyQSWJBISVBFSYAM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds6

About N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 91645774) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID91645774
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC(C)CCOC1CCN(c2nccc(N(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-12(2)7-10-20-13-6-9-19(11-13)15-16-8-5-14(17-15)18(3)4/h5,8,12-13H,6-7,9-11H2,1-4H3
InChIKeyQSWJBISVBFSYAM-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine (CID 91645774) is N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine is CC(C)CCOC1CCN(c2nccc(N(C)C)n2)C1.
What is the InChIKey of N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is QSWJBISVBFSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)7-10-20-13-6-9-19(11-13)15-16-8-5-14(17-15)18(3)4/h5,8,12-13H,6-7,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 91645774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).