N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine

C16H26N4O — CID 125444383

IUPACN-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC[C@H]2CCN(C3CCCC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-2-21-15-7-9-17-16(19-15)18-11-13-8-10-20(12-13)14-5-3-4-6-14/h7,9,13-14H,2-6,8,10-12H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyFBKCSNDFRPJORK-CYBMUJFWSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds6

About N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine

N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine (PubChem CID 125444383) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine
PubChem CID125444383
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC[C@H]2CCN(C3CCCC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-2-21-15-7-9-17-16(19-15)18-11-13-8-10-20(12-13)14-5-3-4-6-14/h7,9,13-14H,2-6,8,10-12H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyFBKCSNDFRPJORK-CYBMUJFWSA-N
XLogP2.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine (CID 125444383) is N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC[C@H]2CCN(C3CCCC3)C2)n1.
What is the InChIKey of N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is FBKCSNDFRPJORK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-21-15-7-9-17-16(19-15)18-11-13-8-10-20(12-13)14-5-3-4-6-14/h7,9,13-14H,2-6,8,10-12H2,1H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine?
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 125444383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).