2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine

C14H27N5 — CID 80961925

IUPAC2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
SMILESCN(C)C(C)(C)CNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H27N5/c1-13(2,3)12-17-10(15)8-11(18-12)16-9-14(4,5)19(6)7/h8H,9H2,1-7H3,(H3,15,16,17,18)
InChIKeySBKOJQUJZHTNOH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.11
Rot. Bonds4

About 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine

2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine (PubChem CID 80961925) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
PubChem CID80961925
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
SMILESCN(C)C(C)(C)CNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H27N5/c1-13(2,3)12-17-10(15)8-11(18-12)16-9-14(4,5)19(6)7/h8H,9H2,1-7H3,(H3,15,16,17,18)
InChIKeySBKOJQUJZHTNOH-UHFFFAOYSA-N
XLogP2.11
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Adriforant
CID 24745335
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
N4-(3,3-dimethylbutyl)-6-(3-(methylamino)azetidin-1-yl)pyrimidine-2,4-diamine
CID 24745506
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine (CID 80961925) is 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine is CN(C)C(C)(C)CNc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine?
The InChIKey is SBKOJQUJZHTNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-13(2,3)12-17-10(15)8-11(18-12)16-9-14(4,5)19(6)7/h8H,9H2,1-7H3,(H3,15,16,17,18).
What are the key properties of 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine?
2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80961925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).