6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C18H25N7 — CID 91784124

IUPAC6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(C3CC(N)C3)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C18H25N7/c1-12-9-21-15(10-20-12)11-22-17-8-16(13-6-14(19)7-13)23-18(24-17)25-4-2-3-5-25/h8-10,13-14H,2-7,11,19H2,1H3,(H,22,23,24)
InChIKeyUEDVLXRGEZOOEL-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.99
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 91784124) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID91784124
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(C3CC(N)C3)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C18H25N7/c1-12-9-21-15(10-20-12)11-22-17-8-16(13-6-14(19)7-13)23-18(24-17)25-4-2-3-5-25/h8-10,13-14H,2-7,11,19H2,1H3,(H,22,23,24)
InChIKeyUEDVLXRGEZOOEL-UHFFFAOYSA-N
XLogP1.99
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine;dihydrochloride
CID 154902279
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901872
6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 91788057
4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136662070
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80825317
2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 154745874
6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 55188731
6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
CID 154901868
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 91763873
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114766216

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 91784124) is 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1cnc(CNc2cc(C3CC(N)C3)nc(N3CCCC3)n2)cn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is UEDVLXRGEZOOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-12-9-21-15(10-20-12)11-22-17-8-16(13-6-14(19)7-13)23-18(24-17)25-4-2-3-5-25/h8-10,13-14H,2-7,11,19H2,1H3,(H,22,23,24).
What are the key properties of 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 339.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 91784124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).