4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

C13H23N5 — CID 115265972

IUPAC4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESCC(C)N(C)c1cc(N(C)C2CCNC2)ncn1
InChIInChI=1S/C13H23N5/c1-10(2)17(3)12-7-13(16-9-15-12)18(4)11-5-6-14-8-11/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyPIXMVKGQVMRPRG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.12
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (PubChem CID 115265972) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
PubChem CID115265972
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESCC(C)N(C)c1cc(N(C)C2CCNC2)ncn1
InChIInChI=1S/C13H23N5/c1-10(2)17(3)12-7-13(16-9-15-12)18(4)11-5-6-14-8-11/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyPIXMVKGQVMRPRG-UHFFFAOYSA-N
XLogP1.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,6-N-dimethyl-6-N-piperidin-3-yl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265979
6-methoxy-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319644
N-methyl-N-piperidin-3-yl-6-propan-2-yloxypyrimidin-4-amine
CID 66333032
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyridine-4-carbonitrile
CID 71640983
N-(azetidin-3-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66183125
N,5,6-trimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83833515
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71641175

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (CID 115265972) is 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is CC(C)N(C)c1cc(N(C)C2CCNC2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The InChIKey is PIXMVKGQVMRPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(2)17(3)12-7-13(16-9-15-12)18(4)11-5-6-14-8-11/h7,9-11,14H,5-6,8H2,1-4H3.
What are the key properties of 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).