N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine

C14H24N4O — CID 119064787

IUPACN,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(C2CCOC2)cc(N(C)CCN(C)C)n1
InChIInChI=1S/C14H24N4O/c1-11-15-13(12-5-8-19-10-12)9-14(16-11)18(4)7-6-17(2)3/h9,12H,5-8,10H2,1-4H3
InChIKeyVBABLXWKZZNNRO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.29
Rot. Bonds5

About N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 119064787) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID119064787
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(C2CCOC2)cc(N(C)CCN(C)C)n1
InChIInChI=1S/C14H24N4O/c1-11-15-13(12-5-8-19-10-12)9-14(16-11)18(4)7-6-17(2)3/h9,12H,5-8,10H2,1-4H3
InChIKeyVBABLXWKZZNNRO-UHFFFAOYSA-N
XLogP1.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine (CID 119064787) is N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine is Cc1nc(C2CCOC2)cc(N(C)CCN(C)C)n1.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is VBABLXWKZZNNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-15-13(12-5-8-19-10-12)9-14(16-11)18(4)7-6-17(2)3/h9,12H,5-8,10H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 119064787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).