N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C20H24N6 — CID 45230985

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(NCC3CCN(Cc4ccccc4)C3)n2)cn1
InChIInChI=1S/C20H24N6/c1-25-15-18(12-23-25)19-7-9-21-20(24-19)22-11-17-8-10-26(14-17)13-16-5-3-2-4-6-16/h2-7,9,12,15,17H,8,10-11,13-14H2,1H3,(H,21,22,24)
InChIKeyVBKIEDIWFGJWGQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.81
Rot. Bonds6

About N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 45230985) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID45230985
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(NCC3CCN(Cc4ccccc4)C3)n2)cn1
InChIInChI=1S/C20H24N6/c1-25-15-18(12-23-25)19-7-9-21-20(24-19)22-11-17-8-10-26(14-17)13-16-5-3-2-4-6-16/h2-7,9,12,15,17H,8,10-11,13-14H2,1H3,(H,21,22,24)
InChIKeyVBKIEDIWFGJWGQ-UHFFFAOYSA-N
XLogP2.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 30921199
N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68730680
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
CID 45228205
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 135208279
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
CID 124628337
4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 84595614
2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
CID 154740686
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 31106692

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 45230985) is N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(-c2ccnc(NCC3CCN(Cc4ccccc4)C3)n2)cn1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is VBKIEDIWFGJWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-25-15-18(12-23-25)19-7-9-21-20(24-19)22-11-17-8-10-26(14-17)13-16-5-3-2-4-6-16/h2-7,9,12,15,17H,8,10-11,13-14H2,1H3,(H,21,22,24).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 45230985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).