6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine

C12H22BrN5 — CID 116795711

IUPAC6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)CC(CN(C)C)Nc1nc(N)cc(Br)n1
InChIInChI=1S/C12H22BrN5/c1-8(2)5-9(7-18(3)4)15-12-16-10(13)6-11(14)17-12/h6,8-9H,5,7H2,1-4H3,(H3,14,15,16,17)
InChIKeyZUGCSFGFHWRMRA-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.21
Rot. Bonds6

About 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine

6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine (PubChem CID 116795711) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine
PubChem CID116795711
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)CC(CN(C)C)Nc1nc(N)cc(Br)n1
InChIInChI=1S/C12H22BrN5/c1-8(2)5-9(7-18(3)4)15-12-16-10(13)6-11(14)17-12/h6,8-9H,5,7H2,1-4H3,(H3,14,15,16,17)
InChIKeyZUGCSFGFHWRMRA-UHFFFAOYSA-N
XLogP2.21
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357
Seliforant
CID 44126305
N,N-Diisobutyl-2-(3-methyl-butyl)-pyrimidine-4,6-diamine
CID 25130220
6-bromo-2-N-(4,4,4-trifluorobutan-2-yl)pyrimidine-2,4-diamine
CID 105939713
6-bromo-2-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 106192698
6-bromo-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 106192705
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771244
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771246
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771300
6-N-ethyl-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771417

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine (CID 116795711) is 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine is CC(C)CC(CN(C)C)Nc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is ZUGCSFGFHWRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-8(2)5-9(7-18(3)4)15-12-16-10(13)6-11(14)17-12/h6,8-9H,5,7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine?
6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 316.25 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).