2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

C14H26N4 — CID 107871752

IUPAC2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCN(CCC(C)C)c1nccc(N)n1
InChIInChI=1S/C14H26N4/c1-11(2)6-9-18(10-7-12(3)4)14-16-8-5-13(15)17-14/h5,8,11-12H,6-7,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyGOOAMSJOBSLQOJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds7

About 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 107871752) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID107871752
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCN(CCC(C)C)c1nccc(N)n1
InChIInChI=1S/C14H26N4/c1-11(2)6-9-18(10-7-12(3)4)14-16-8-5-13(15)17-14/h5,8,11-12H,6-7,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyGOOAMSJOBSLQOJ-UHFFFAOYSA-N
XLogP2.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
2-N,2-N-bis(3-methylbutyl)pyrimidine-2,5-diamine
CID 114011099
2-(10-methylundecyl)pyrimidin-4-amine
CID 58722363
2-N-ethyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 116797171
2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 116796967
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[methyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107546802
[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol
CID 107870750
2-butan-2-ylpyrimidin-4-amine
CID 62313263
2-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765019

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (CID 107871752) is 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCN(CCC(C)C)c1nccc(N)n1.
What is the InChIKey of 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is GOOAMSJOBSLQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)6-9-18(10-7-12(3)4)14-16-8-5-13(15)17-14/h5,8,11-12H,6-7,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107871752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).