N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

C14H24N4S — CID 106973354

IUPACN-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1cc(N(CC(C)C)CC2CCCN2)ncn1
InChIInChI=1S/C14H24N4S/c1-11(2)8-18(9-12-5-4-6-15-12)13-7-14(19-3)17-10-16-13/h7,10-12,15H,4-6,8-9H2,1-3H3
InChIKeyLZTWAPPDYITSAK-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.41
Rot. Bonds6

About N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 106973354) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID106973354
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1cc(N(CC(C)C)CC2CCCN2)ncn1
InChIInChI=1S/C14H24N4S/c1-11(2)8-18(9-12-5-4-6-15-12)13-7-14(19-3)17-10-16-13/h7,10-12,15H,4-6,8-9H2,1-3H3
InChIKeyLZTWAPPDYITSAK-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620729
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805
N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619278
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620544
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024
2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (CID 106973354) is N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is CSc1cc(N(CC(C)C)CC2CCCN2)ncn1.
What is the InChIKey of N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is LZTWAPPDYITSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11(2)8-18(9-12-5-4-6-15-12)13-7-14(19-3)17-10-16-13/h7,10-12,15H,4-6,8-9H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106973354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).