N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine

C12H18N4S — CID 163271883

IUPACN-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCN1CCCC1c1ccnc(NSC2CC2)n1
InChIInChI=1S/C12H18N4S/c1-16-8-2-3-11(16)10-6-7-13-12(14-10)15-17-9-4-5-9/h6-7,9,11H,2-5,8H2,1H3,(H,13,14,15)
InChIKeyAYYVLJAPAIFBKB-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine

N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine (PubChem CID 163271883) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
PubChem CID163271883
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCN1CCCC1c1ccnc(NSC2CC2)n1
InChIInChI=1S/C12H18N4S/c1-16-8-2-3-11(16)10-6-7-13-12(14-10)15-17-9-4-5-9/h6-7,9,11H,2-5,8H2,1H3,(H,13,14,15)
InChIKeyAYYVLJAPAIFBKB-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-methylpiperidin-2-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 155983128
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
2-(2-methylpyrazol-3-yl)-6-(1-methylpyrrolidin-2-yl)pyridine
CID 127246025
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 124993584
2-[(2-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254376
6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017325
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 95837499
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine (CID 163271883) is N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine is CN1CCCC1c1ccnc(NSC2CC2)n1.
What is the InChIKey of N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
The InChIKey is AYYVLJAPAIFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-16-8-2-3-11(16)10-6-7-13-12(14-10)15-17-9-4-5-9/h6-7,9,11H,2-5,8H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfanyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 163271883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).