4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

C15H26N4S — CID 80784672

IUPAC4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)C2CCSC2)c1CCC
InChIInChI=1S/C15H26N4S/c1-4-6-13-14(16-8-5-2)17-11-18-15(13)19(3)12-7-9-20-10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyRQBAJDQRVHQHEO-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.19
Rot. Bonds7

About 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 80784672) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID80784672
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)C2CCSC2)c1CCC
InChIInChI=1S/C15H26N4S/c1-4-6-13-14(16-8-5-2)17-11-18-15(13)19(3)12-7-9-20-10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyRQBAJDQRVHQHEO-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 55230830
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80792671
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
CID 80783482
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 82746096
5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 114215986
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
CID 63021682
6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298804

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (CID 80784672) is 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(C)C2CCSC2)c1CCC.
What is the InChIKey of 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is RQBAJDQRVHQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-4-6-13-14(16-8-5-2)17-11-18-15(13)19(3)12-7-9-20-10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 294.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80784672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).