N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine

C14H17FN6O — CID 172891189

IUPACN-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(c3ncnc(C)c3F)C2)n1
InChIInChI=1S/C14H17FN6O/c1-9-12(15)13(18-8-17-9)21-6-4-10(7-21)19-14-16-5-3-11(20-14)22-2/h3,5,8,10H,4,6-7H2,1-2H3,(H,16,19,20)
InChIKeyRJKUUSSLCNLOPM-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine

N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine (PubChem CID 172891189) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
PubChem CID172891189
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC NameN-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(c3ncnc(C)c3F)C2)n1
InChIInChI=1S/C14H17FN6O/c1-9-12(15)13(18-8-17-9)21-6-4-10(7-21)19-14-16-5-3-11(20-14)22-2/h3,5,8,10H,4,6-7H2,1-2H3,(H,16,19,20)
InChIKeyRJKUUSSLCNLOPM-UHFFFAOYSA-N
XLogP1.41
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 171995695
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
3-chloro-5-[3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903543
4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171995555
N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996190
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95596178
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
CID 112695266
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine (CID 172891189) is N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC2CCN(c3ncnc(C)c3F)C2)n1.
What is the InChIKey of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
The InChIKey is RJKUUSSLCNLOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O/c1-9-12(15)13(18-8-17-9)21-6-4-10(7-21)19-14-16-5-3-11(20-14)22-2/h3,5,8,10H,4,6-7H2,1-2H3,(H,16,19,20).
What are the key properties of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine has a molecular weight of 304.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 172891189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).