N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

C17H20BrN5O — CID 171995144

IUPACN-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ncccc3Br)C2)ncn1
InChIInChI=1S/C17H20BrN5O/c1-24-16-9-15(20-11-21-16)23(12-4-5-12)13-6-8-22(10-13)17-14(18)3-2-7-19-17/h2-3,7,9,11-13H,4-6,8,10H2,1H3
InChIKeyRDQQBMUTCLYNKA-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (PubChem CID 171995144) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
PubChem CID171995144
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC NameN-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ncccc3Br)C2)ncn1
InChIInChI=1S/C17H20BrN5O/c1-24-16-9-15(20-11-21-16)23(12-4-5-12)13-6-8-22(10-13)17-14(18)3-2-7-19-17/h2-3,7,9,11-13H,4-6,8,10H2,1H3
InChIKeyRDQQBMUTCLYNKA-UHFFFAOYSA-N
XLogP2.89
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171999040
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 63174837
2-[3-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 171997713
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N-cyclopropyl-N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891189
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171994950
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (CID 171995144) is N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3ncccc3Br)C2)ncn1.
What is the InChIKey of N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The InChIKey is RDQQBMUTCLYNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-24-16-9-15(20-11-21-16)23(12-4-5-12)13-6-8-22(10-13)17-14(18)3-2-7-19-17/h2-3,7,9,11-13H,4-6,8,10H2,1H3.
What are the key properties of N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine has a molecular weight of 390.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171995144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).