2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile

C13H19N5O — CID 144983920

IUPAC2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
SMILESCCN(C[C@H]1CCCN1)c1ncc(C#N)c(OC)n1
InChIInChI=1S/C13H19N5O/c1-3-18(9-11-5-4-6-15-11)13-16-8-10(7-14)12(17-13)19-2/h8,11,15H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeyFUWSSRLAPNYJBD-LLVKDONJSA-N
MW261.33 g/mol
LogP0.94
Rot. Bonds5

About 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile

2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile (PubChem CID 144983920) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
PubChem CID144983920
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
SMILESCCN(C[C@H]1CCCN1)c1ncc(C#N)c(OC)n1
InChIInChI=1S/C13H19N5O/c1-3-18(9-11-5-4-6-15-11)13-16-8-10(7-14)12(17-13)19-2/h8,11,15H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeyFUWSSRLAPNYJBD-LLVKDONJSA-N
XLogP0.94
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998331
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
N-ethyl-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619398
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile?
The IUPAC name of 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile (CID 144983920) is 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile?
The canonical SMILES for 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile is CCN(C[C@H]1CCCN1)c1ncc(C#N)c(OC)n1.
What is the InChIKey of 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile?
The InChIKey is FUWSSRLAPNYJBD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-18(9-11-5-4-6-15-11)13-16-8-10(7-14)12(17-13)19-2/h8,11,15H,3-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile?
2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile is sourced from PubChem (CID 144983920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).