2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine

C11H19N5 — CID 61146431

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
SMILESCCN1CCCC1CNc1ncc(N)cn1
InChIInChI=1S/C11H19N5/c1-2-16-5-3-4-10(16)8-15-11-13-6-9(12)7-14-11/h6-7,10H,2-5,8,12H2,1H3,(H,13,14,15)
InChIKeyUOOJQZNOJIOSNJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.95
Rot. Bonds4

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine (PubChem CID 61146431) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
PubChem CID61146431
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
SMILESCCN1CCCC1CNc1ncc(N)cn1
InChIInChI=1S/C11H19N5/c1-2-16-5-3-4-10(16)8-15-11-13-6-9(12)7-14-11/h6-7,10H,2-5,8,12H2,1H3,(H,13,14,15)
InChIKeyUOOJQZNOJIOSNJ-UHFFFAOYSA-N
XLogP0.95
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80773177
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536699

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine (CID 61146431) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine is CCN1CCCC1CNc1ncc(N)cn1.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine?
The InChIKey is UOOJQZNOJIOSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-16-5-3-4-10(16)8-15-11-13-6-9(12)7-14-11/h6-7,10H,2-5,8,12H2,1H3,(H,13,14,15).
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 61146431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).