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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Related Compounds

CID 24745335
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CID 58227148
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CID 10198583
CID 10198583
CID 10756932
CID 10756932
CID 57394626
CID 57394626
CID 57394627
CID 57394627
CID 57395620
CID 57395620
CID 57399829
CID 57399829
CID 57403351
CID 57403351
CID 58227085
CID 58227085
CID 58227127
CID 58227127
CID 58227157
CID 58227157

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).