4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine

C9H16N4 — CID 86341390

IUPAC4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(N)NC(N2CCCC2)=N1
InChIInChI=1S/C9H16N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6-7H,2-5,10H2,1H3,(H,11,12)
InChIKeyOMZWBBSRTDRIQD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.23
Rot. Bonds

About 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine

4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine (PubChem CID 86341390) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine
PubChem CID86341390
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(N)NC(N2CCCC2)=N1
InChIInChI=1S/C9H16N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6-7H,2-5,10H2,1H3,(H,11,12)
InChIKeyOMZWBBSRTDRIQD-UHFFFAOYSA-N
XLogP0.23
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
CID 69056175
4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine
CID 118973455
4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine
CID 123635075
4-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492568
4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150272786
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150975062
4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine
CID 151404397
4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
CID 154022292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine (CID 86341390) is 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine is CC1C=C(N)NC(N2CCCC2)=N1.
What is the InChIKey of 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine?
The InChIKey is OMZWBBSRTDRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6-7H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine?
4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine has a molecular weight of 180.25 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 86341390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).