N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine

C17H20BrN5 — CID 175649469

IUPACN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine
SMILESBrc1cccnc1N1CCCC(Nc2ccnc(C3CC3)n2)C1
InChIInChI=1S/C17H20BrN5/c18-14-4-1-8-20-17(14)23-10-2-3-13(11-23)21-15-7-9-19-16(22-15)12-5-6-12/h1,4,7-9,12-13H,2-3,5-6,10-11H2,(H,19,21,22)
InChIKeyHVEULKTYHBUEEK-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine

N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine (PubChem CID 175649469) has the molecular formula C17H20BrN5 and a molecular weight of 374.29 g/mol. Its IUPAC name is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine
PubChem CID175649469
Molecular FormulaC17H20BrN5
Molecular Weight374.29 g/mol
Exact Mass373.09
IUPAC NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine
SMILESBrc1cccnc1N1CCCC(Nc2ccnc(C3CC3)n2)C1
InChIInChI=1S/C17H20BrN5/c18-14-4-1-8-20-17(14)23-10-2-3-13(11-23)21-15-7-9-19-16(22-15)12-5-6-12/h1,4,7-9,12-13H,2-3,5-6,10-11H2,(H,19,21,22)
InChIKeyHVEULKTYHBUEEK-UHFFFAOYSA-N
XLogP3.59
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994309
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974212
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine
CID 172893185
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172903181
4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
CID 171540161
2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294
4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171996700
4-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 172904403
2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 172900660
5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine (CID 175649469) is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine is Brc1cccnc1N1CCCC(Nc2ccnc(C3CC3)n2)C1.
What is the InChIKey of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine?
The InChIKey is HVEULKTYHBUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5/c18-14-4-1-8-20-17(14)23-10-2-3-13(11-23)21-15-7-9-19-16(22-15)12-5-6-12/h1,4,7-9,12-13H,2-3,5-6,10-11H2,(H,19,21,22).
What are the key properties of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine?
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine has a molecular weight of 374.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 175649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).