2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine

C15H25N5 — CID 72912216

IUPAC2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C15H25N5/c1-4-16-14-7-8-17-15(18-14)20-9-12(11-5-6-11)13(10-20)19(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyJWCRBQCTONXNCW-OLZOCXBDSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds5

About 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine

2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine (PubChem CID 72912216) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine
PubChem CID72912216
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C15H25N5/c1-4-16-14-7-8-17-15(18-14)20-9-12(11-5-6-11)13(10-20)19(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyJWCRBQCTONXNCW-OLZOCXBDSA-N
XLogP1.68
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine (CID 72912216) is 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine is CCNc1ccnc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)n1.
What is the InChIKey of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine?
The InChIKey is JWCRBQCTONXNCW-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-16-14-7-8-17-15(18-14)20-9-12(11-5-6-11)13(10-20)19(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine?
2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 72912216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).