4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine

C11H21N5 — CID 80812454

IUPAC4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC(C)(C)N(C)C
InChIInChI=1S/C11H21N5/c1-8-6-13-10(12)15-9(8)14-7-11(2,3)16(4)5/h6H,7H2,1-5H3,(H3,12,13,14,15)
InChIKeyLOJHVSCMSZIXGZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds4

About 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine

4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80812454) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80812454
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC(C)(C)N(C)C
InChIInChI=1S/C11H21N5/c1-8-6-13-10(12)15-9(8)14-7-11(2,3)16(4)5/h6H,7H2,1-5H3,(H3,12,13,14,15)
InChIKeyLOJHVSCMSZIXGZ-UHFFFAOYSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine (CID 80812454) is 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC(C)(C)N(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is LOJHVSCMSZIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8-6-13-10(12)15-9(8)14-7-11(2,3)16(4)5/h6H,7H2,1-5H3,(H3,12,13,14,15).
What are the key properties of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80812454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).