4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine

C9H17N5 — CID 154022292

IUPAC4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
SMILESCC1(N)C=C(N2CCCC2)NC(N)=N1
InChIInChI=1S/C9H17N5/c1-9(11)6-7(12-8(10)13-9)14-4-2-3-5-14/h6H,2-5,11H2,1H3,(H3,10,12,13)
InChIKeyHWZRIVDUESLLDO-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.48
Rot. Bonds1

About 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine

4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine (PubChem CID 154022292) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
PubChem CID154022292
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
SMILESCC1(N)C=C(N2CCCC2)NC(N)=N1
InChIInChI=1S/C9H17N5/c1-9(11)6-7(12-8(10)13-9)14-4-2-3-5-14/h6H,2-5,11H2,1H3,(H3,10,12,13)
InChIKeyHWZRIVDUESLLDO-UHFFFAOYSA-N
XLogP-0.48
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
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
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 150124058
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-4,5-diamine
CID 154238804
4-Methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine
CID 86341390

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine (CID 154022292) is 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine is CC1(N)C=C(N2CCCC2)NC(N)=N1.
What is the InChIKey of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is HWZRIVDUESLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(11)6-7(12-8(10)13-9)14-4-2-3-5-14/h6H,2-5,11H2,1H3,(H3,10,12,13).
What are the key properties of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154022292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).