2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

C19H29N5 — CID 112912858

IUPAC2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H29N5/c1-14-13-17(20-11-12-24(5)6)23-18(21-14)22-16-10-8-7-9-15(16)19(2,3)4/h7-10,13H,11-12H2,1-6H3,(H2,20,21,22,23)
InChIKeyINGFENZZIAUWRC-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.80
Rot. Bonds6

About 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112912858) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112912858
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H29N5/c1-14-13-17(20-11-12-24(5)6)23-18(21-14)22-16-10-8-7-9-15(16)19(2,3)4/h7-10,13H,11-12H2,1-6H3,(H2,20,21,22,23)
InChIKeyINGFENZZIAUWRC-UHFFFAOYSA-N
XLogP3.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908185
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915200
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041
3-N-(2-tert-butylphenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945509
2-N-(3-chloro-2-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913522
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912886
4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911971
N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112912891
2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912898
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112913095

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112912858) is 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCN(C)C)nc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is INGFENZZIAUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14-13-17(20-11-12-24(5)6)23-18(21-14)22-16-10-8-7-9-15(16)19(2,3)4/h7-10,13H,11-12H2,1-6H3,(H2,20,21,22,23).
What are the key properties of 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 327.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112912858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).