N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C15H25N5S — CID 119124051

IUPACN-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNC2CCSCC2)ncn1
InChIInChI=1S/C15H25N5S/c1-16-14-9-15(19-11-18-14)20-6-2-3-13(20)10-17-12-4-7-21-8-5-12/h9,11-13,17H,2-8,10H2,1H3,(H,16,18,19)
InChIKeyRJNNETGLCRYFOD-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 119124051) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID119124051
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC NameN-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNC2CCSCC2)ncn1
InChIInChI=1S/C15H25N5S/c1-16-14-9-15(19-11-18-14)20-6-2-3-13(20)10-17-12-4-7-21-8-5-12/h9,11-13,17H,2-8,10H2,1H3,(H,16,18,19)
InChIKeyRJNNETGLCRYFOD-UHFFFAOYSA-N
XLogP1.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
N-methyl-6-[2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 127739223
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 119124051) is N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNC2CCSCC2)ncn1.
What is the InChIKey of N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is RJNNETGLCRYFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-16-14-9-15(19-11-18-14)20-6-2-3-13(20)10-17-12-4-7-21-8-5-12/h9,11-13,17H,2-8,10H2,1H3,(H,16,18,19).
What are the key properties of N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 307.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 119124051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).