4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C14H21N5S — CID 80983692

IUPAC4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ncsc1CN(C)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C14H21N5S/c1-8(2)13-17-12(15)9(3)14(18-13)19(5)6-11-10(4)16-7-20-11/h7-8H,6H2,1-5H3,(H2,15,17,18)
InChIKeyDYWRMNSEEHJHPQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds4

About 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80983692) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80983692
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ncsc1CN(C)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C14H21N5S/c1-8(2)13-17-12(15)9(3)14(18-13)19(5)6-11-10(4)16-7-20-11/h7-8H,6H2,1-5H3,(H2,15,17,18)
InChIKeyDYWRMNSEEHJHPQ-UHFFFAOYSA-N
XLogP2.89
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80983692) is 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ncsc1CN(C)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DYWRMNSEEHJHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-8(2)13-17-12(15)9(3)14(18-13)19(5)6-11-10(4)16-7-20-11/h7-8H,6H2,1-5H3,(H2,15,17,18).
What are the key properties of 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).