N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine

C17H22N4 — CID 97203878

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C17H22N4/c1-2-14-10-18-17(19-11-14)20-16-8-9-21(13-16)12-15-6-4-3-5-7-15/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyYYCQVQRGQSXNLZ-MRXNPFEDSA-N
MW282.39 g/mol
LogP2.73
Rot. Bonds5

About N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine

N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine (PubChem CID 97203878) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
PubChem CID97203878
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C17H22N4/c1-2-14-10-18-17(19-11-14)20-16-8-9-21(13-16)12-15-6-4-3-5-7-15/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyYYCQVQRGQSXNLZ-MRXNPFEDSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
ethyl (E)-3-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrimidin-5-yl]prop-2-enoate
CID 86603679
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095
5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186978
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
CID 141133441
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine (CID 97203878) is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine is CCc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine?
The InChIKey is YYCQVQRGQSXNLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-14-10-18-17(19-11-14)20-16-8-9-21(13-16)12-15-6-4-3-5-7-15/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,18,19,20)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine?
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine is sourced from PubChem (CID 97203878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).