ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine

C12H22N4 — CID 143709690

IUPACethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCC.Cc1cnc(NC2CCN(C)C2)nc1
InChIInChI=1S/C10H16N4.C2H6/c1-8-5-11-10(12-6-8)13-9-3-4-14(2)7-9;1-2/h5-6,9H,3-4,7H2,1-2H3,(H,11,12,13);1-2H3
InChIKeyGDBPZJXVVXAPBS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.93
Rot. Bonds2

About ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine

ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine (PubChem CID 143709690) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
PubChem CID143709690
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Nameethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCC.Cc1cnc(NC2CCN(C)C2)nc1
InChIInChI=1S/C10H16N4.C2H6/c1-8-5-11-10(12-6-8)13-9-3-4-14(2)7-9;1-2/h5-6,9H,3-4,7H2,1-2H3,(H,11,12,13);1-2H3
InChIKeyGDBPZJXVVXAPBS-UHFFFAOYSA-N
XLogP1.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
CID 171069962
N-(1-ethylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 63208182
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 154915792
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
5-methyl-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,4-diamine
CID 83266421
5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The IUPAC name of ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine (CID 143709690) is ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine is CC.Cc1cnc(NC2CCN(C)C2)nc1.
What is the InChIKey of ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The InChIKey is GDBPZJXVVXAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.C2H6/c1-8-5-11-10(12-6-8)13-9-3-4-14(2)7-9;1-2/h5-6,9H,3-4,7H2,1-2H3,(H,11,12,13);1-2H3.
What are the key properties of ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 143709690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).