N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine

C17H27N5S — CID 122158318

IUPACN,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine
SMILESCc1nc(C(C)C)sc1C(C)N(C)Cc1cnc(N(C)C)nc1
InChIInChI=1S/C17H27N5S/c1-11(2)16-20-12(3)15(23-16)13(4)22(7)10-14-8-18-17(19-9-14)21(5)6/h8-9,11,13H,10H2,1-7H3
InChIKeyBIRZNCMZKDUTRI-UHFFFAOYSA-N
MW333.51 g/mol
LogP3.62
Rot. Bonds6

About N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine (PubChem CID 122158318) has the molecular formula C17H27N5S and a molecular weight of 333.51 g/mol. Its IUPAC name is N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine
PubChem CID122158318
Molecular FormulaC17H27N5S
Molecular Weight333.51 g/mol
Exact Mass333.20
IUPAC NameN,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine
SMILESCc1nc(C(C)C)sc1C(C)N(C)Cc1cnc(N(C)C)nc1
InChIInChI=1S/C17H27N5S/c1-11(2)16-20-12(3)15(23-16)13(4)22(7)10-14-8-18-17(19-9-14)21(5)6/h8-9,11,13H,10H2,1-7H3
InChIKeyBIRZNCMZKDUTRI-UHFFFAOYSA-N
XLogP3.62
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine
CID 130210355
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
CID 166244098
1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97060197
4-[3-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-3-oxopropyl]benzoic acid
CID 120551430
3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]methyl]benzoic acid
CID 122029038
N,2-dimethyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 91646317
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide
CID 97244592
N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56750480
3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
CID 75514120
5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
CID 62757845
2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 115707398
N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
CID 124743410

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine (CID 122158318) is N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine is Cc1nc(C(C)C)sc1C(C)N(C)Cc1cnc(N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is BIRZNCMZKDUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c1-11(2)16-20-12(3)15(23-16)13(4)22(7)10-14-8-18-17(19-9-14)21(5)6/h8-9,11,13H,10H2,1-7H3.
What are the key properties of N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 333.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 122158318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).