5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine

C14H24ClN5O2 — CID 91777194

IUPAC5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N[C@@H]2CCOC[C@H]2OCCN(C)C)c1Cl
InChIInChI=1S/C14H24ClN5O2/c1-9-12(15)13(19-14(16)17-9)18-10-4-6-21-8-11(10)22-7-5-20(2)3/h10-11H,4-8H2,1-3H3,(H3,16,17,18,19)/t10-,11-/m1/s1
InChIKeySKLHPQWCTQVMEQ-GHMZBOCLSA-N
MW329.83 g/mol
LogP1.17
Rot. Bonds6

About 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine

5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine (PubChem CID 91777194) has the molecular formula C14H24ClN5O2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine
PubChem CID91777194
Molecular FormulaC14H24ClN5O2
Molecular Weight329.83 g/mol
Exact Mass329.16
IUPAC Name5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N[C@@H]2CCOC[C@H]2OCCN(C)C)c1Cl
InChIInChI=1S/C14H24ClN5O2/c1-9-12(15)13(19-14(16)17-9)18-10-4-6-21-8-11(10)22-7-5-20(2)3/h10-11H,4-8H2,1-3H3,(H3,16,17,18,19)/t10-,11-/m1/s1
InChIKeySKLHPQWCTQVMEQ-GHMZBOCLSA-N
XLogP1.17
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine (CID 91777194) is 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N[C@@H]2CCOC[C@H]2OCCN(C)C)c1Cl.
What is the InChIKey of 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SKLHPQWCTQVMEQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H24ClN5O2/c1-9-12(15)13(19-14(16)17-9)18-10-4-6-21-8-11(10)22-7-5-20(2)3/h10-11H,4-8H2,1-3H3,(H3,16,17,18,19)/t10-,11-/m1/s1.
What are the key properties of 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 329.83 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91777194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).