N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine

C18H21N9 — CID 166235375

IUPACN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine
SMILESCNc1cc(N2CCCC2CNc2nccc(-c3cnccn3)n2)ncn1
InChIInChI=1S/C18H21N9/c1-19-16-9-17(25-12-24-16)27-8-2-3-13(27)10-23-18-22-5-4-14(26-18)15-11-20-6-7-21-15/h4-7,9,11-13H,2-3,8,10H2,1H3,(H,19,24,25)(H,22,23,26)
InChIKeyAMAHQLWNEPYMIS-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.85
Rot. Bonds6

About N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine

N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 166235375) has the molecular formula C18H21N9 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine
PubChem CID166235375
Molecular FormulaC18H21N9
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC NameN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine
SMILESCNc1cc(N2CCCC2CNc2nccc(-c3cnccn3)n2)ncn1
InChIInChI=1S/C18H21N9/c1-19-16-9-17(25-12-24-16)27-8-2-3-13(27)10-23-18-22-5-4-14(26-18)15-11-20-6-7-21-15/h4-7,9,11-13H,2-3,8,10H2,1H3,(H,19,24,25)(H,22,23,26)
InChIKeyAMAHQLWNEPYMIS-UHFFFAOYSA-N
XLogP1.85
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine with MolForge

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Related Compounds

4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 146107455
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine
CID 146088252

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine (CID 166235375) is N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine is CNc1cc(N2CCCC2CNc2nccc(-c3cnccn3)n2)ncn1.
What is the InChIKey of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is AMAHQLWNEPYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9/c1-19-16-9-17(25-12-24-16)27-8-2-3-13(27)10-23-18-22-5-4-14(26-18)15-11-20-6-7-21-15/h4-7,9,11-13H,2-3,8,10H2,1H3,(H,19,24,25)(H,22,23,26).
What are the key properties of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine?
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 363.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 166235375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).