N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine

C12H20N4O — CID 66325160

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
SMILESCCN1CCCC1CNc1cc(OC)ncn1
InChIInChI=1S/C12H20N4O/c1-3-16-6-4-5-10(16)8-13-11-7-12(17-2)15-9-14-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyLGGFFQDTTCDXDD-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 66325160) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID66325160
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
SMILESCCN1CCCC1CNc1cc(OC)ncn1
InChIInChI=1S/C12H20N4O/c1-3-16-6-4-5-10(16)8-13-11-7-12(17-2)15-9-14-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyLGGFFQDTTCDXDD-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 134708598
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417435
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine (CID 66325160) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine is CCN1CCCC1CNc1cc(OC)ncn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is LGGFFQDTTCDXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-6-4-5-10(16)8-13-11-7-12(17-2)15-9-14-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66325160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).