N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine

C16H30N4 — CID 62286155

IUPACN-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
SMILESCCCCN(C)c1cnc(C(C)C)nc1CNC(C)C
InChIInChI=1S/C16H30N4/c1-7-8-9-20(6)15-11-18-16(12(2)3)19-14(15)10-17-13(4)5/h11-13,17H,7-10H2,1-6H3
InChIKeyQIQSKOLAVXGRIO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.33
Rot. Bonds8

About N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine

N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine (PubChem CID 62286155) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
PubChem CID62286155
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
SMILESCCCCN(C)c1cnc(C(C)C)nc1CNC(C)C
InChIInChI=1S/C16H30N4/c1-7-8-9-20(6)15-11-18-16(12(2)3)19-14(15)10-17-13(4)5/h11-13,17H,7-10H2,1-6H3
InChIKeyQIQSKOLAVXGRIO-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62278744
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 55059092
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
CID 113378133
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700531
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
CID 62088140

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The IUPAC name of N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine (CID 62286155) is N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The canonical SMILES for N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine is CCCCN(C)c1cnc(C(C)C)nc1CNC(C)C.
What is the InChIKey of N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The InChIKey is QIQSKOLAVXGRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-8-9-20(6)15-11-18-16(12(2)3)19-14(15)10-17-13(4)5/h11-13,17H,7-10H2,1-6H3.
What are the key properties of N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine is sourced from PubChem (CID 62286155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).